1-[4-(trifluoromethyl)benzoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperidine-4-carboxamide

C22H22F6N4O2 — CID 55934156

IUPAC1-[4-(trifluoromethyl)benzoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperidine-4-carboxamide
SMILESO=C(NCCNc1ncccc1C(F)(F)F)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C22H22F6N4O2/c23-21(24,25)16-5-3-15(4-6-16)20(34)32-12-7-14(8-13-32)19(33)31-11-10-30-18-17(22(26,27)28)2-1-9-29-18/h1-6,9,14H,7-8,10-13H2,(H,29,30)(H,31,33)
InChIKeyNYHYIXLWTLQGBV-UHFFFAOYSA-N
MW488.43 g/mol
LogP4.20
Rot. Bonds6

About 1-[4-(trifluoromethyl)benzoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperidine-4-carboxamide

1-[4-(trifluoromethyl)benzoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperidine-4-carboxamide (PubChem CID 55934156) has the molecular formula C22H22F6N4O2 and a molecular weight of 488.43 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)benzoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)benzoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperidine-4-carboxamide
PubChem CID55934156
Molecular FormulaC22H22F6N4O2
Molecular Weight488.43 g/mol
Exact Mass488.16
IUPAC Name1-[4-(trifluoromethyl)benzoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperidine-4-carboxamide
SMILESO=C(NCCNc1ncccc1C(F)(F)F)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C22H22F6N4O2/c23-21(24,25)16-5-3-15(4-6-16)20(34)32-12-7-14(8-13-32)19(33)31-11-10-30-18-17(22(26,27)28)2-1-9-29-18/h1-6,9,14H,7-8,10-13H2,(H,29,30)(H,31,33)
InChIKeyNYHYIXLWTLQGBV-UHFFFAOYSA-N
XLogP4.20
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.43
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxypropyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 78854527
N-[2-(dimethylamino)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 86915487
N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 51309590
N-[2-(tert-butylamino)-2-oxoethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 25471747
N-[3-oxo-3-(propylamino)propyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55976217
N-[2-(diethylamino)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55486323
N-[2-(3-methoxyphenoxy)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46451115
N-pyridin-4-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 41373176
1-propanoyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperidine-2-carboxamide
CID 47891608
N-cyclopentyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26017391
ethyl 1-[N'-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]carbamimidoyl]piperidine-4-carboxylate
CID 111156381
N-[(2-methylphenyl)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26114390

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)benzoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(trifluoromethyl)benzoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperidine-4-carboxamide (CID 55934156) is 1-[4-(trifluoromethyl)benzoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(trifluoromethyl)benzoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(trifluoromethyl)benzoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperidine-4-carboxamide is O=C(NCCNc1ncccc1C(F)(F)F)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[4-(trifluoromethyl)benzoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperidine-4-carboxamide?
The InChIKey is NYHYIXLWTLQGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F6N4O2/c23-21(24,25)16-5-3-15(4-6-16)20(34)32-12-7-14(8-13-32)19(33)31-11-10-30-18-17(22(26,27)28)2-1-9-29-18/h1-6,9,14H,7-8,10-13H2,(H,29,30)(H,31,33).
What are the key properties of 1-[4-(trifluoromethyl)benzoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperidine-4-carboxamide?
1-[4-(trifluoromethyl)benzoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperidine-4-carboxamide has a molecular weight of 488.43 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)benzoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55934156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).